4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile

C10H3F2N3 — CID 169121751

IUPAC4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile
SMILESN#CCc1c(F)cc(C#N)c(F)c1C#N
InChIInChI=1S/C10H3F2N3/c11-9-3-6(4-14)10(12)8(5-15)7(9)1-2-13/h3H,1H2
InChIKeyBMWFYEIXDIKEGO-UHFFFAOYSA-N
MW203.15 g/mol
LogP1.77
Rot. Bonds1

About 4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile

4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile (PubChem CID 169121751) has the molecular formula C10H3F2N3 and a molecular weight of 203.15 g/mol. Its IUPAC name is 4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile
PubChem CID169121751
Molecular FormulaC10H3F2N3
Molecular Weight203.15 g/mol
Exact Mass203.03
IUPAC Name4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile
SMILESN#CCc1c(F)cc(C#N)c(F)c1C#N
InChIInChI=1S/C10H3F2N3/c11-9-3-6(4-14)10(12)8(5-15)7(9)1-2-13/h3H,1H2
InChIKeyBMWFYEIXDIKEGO-UHFFFAOYSA-N
XLogP1.77
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyanomethyl)-2,4-difluoro-5-(trifluoromethyl)benzonitrile
CID 162523513
4-(cyanomethyl)-3,5-difluorobenzonitrile
CID 118821709
2-(cyanomethyl)-3,4-difluorobenzonitrile
CID 130896726
3-(cyanomethyl)-2-fluoro-4-hydroxybenzonitrile
CID 171020824
2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile
CID 171021297
2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500
2-(2-chloro-4,6-difluorophenyl)acetonitrile
CID 119020113
2-(3-chloro-2,6-difluorophenyl)acetonitrile
CID 2773576
2-(2,4-dibromo-6-fluorophenyl)acetonitrile
CID 2773983
6-(cyanomethyl)-2,3-difluorobenzonitrile
CID 119021855
2,3,5-trifluoro-4-methylbenzonitrile
CID 24820344
2-(cyanomethyl)-5-fluoro-4-(trifluoromethyl)benzonitrile
CID 169121731

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile?
The IUPAC name of 4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile (CID 169121751) is 4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile?
The canonical SMILES for 4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile is N#CCc1c(F)cc(C#N)c(F)c1C#N.
What is the InChIKey of 4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile?
The InChIKey is BMWFYEIXDIKEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F2N3/c11-9-3-6(4-14)10(12)8(5-15)7(9)1-2-13/h3H,1H2.
What are the key properties of 4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile?
4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile has a molecular weight of 203.15 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-2,5-difluorobenzene-1,3-dicarbonitrile is sourced from PubChem (CID 169121751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).